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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-X-C chemokine receptor type 3
Species	Homo sapiens (Human)
Gene	CXCR3
Synonym	MigR IP-10 receptor Interferon-inducible protein 10 receptor GPR9 G protein-coupled receptor 9 Cxcr3 CXCR-3 CXC-R3 CKR-L2 chemokine (C-X-C motif) receptor 3 CD183 [ Show all ]
Disease	Inflammatory disease Autoimmune diabetes Inflammatory disorder Rheumatoid arthritis Psoriatic disorder
Length	368
Amino acid sequence	MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
UniProt	P49682
Protein Data Bank	N/A
GPCR-HGmod model	P49682
3D structure model	This predicted structure model is from GPCR-EXP P49682.
BioLiP	N/A
Therapeutic Target Database	T25315
ChEMBL	CHEMBL4441
IUPHAR	70
DrugBank	N/A

Ligand

Name	CHEMBL604277
Molecular formula	C26H28N2O4S2
IUPAC name	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide
Molecular weight	496.64
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.4
Synonyms	AKOS024364667 ST50997002 N,N'-Diallyl-N,N'-ditosyl-1,2-benzenediamine BDBM50305737 ZINC2573080 MCULE-3639320640 AC1MQKQY SBB057090 [(4-methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide N,N''-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide) [ Show all ]
Inchi Key	WLHVFPKZYDQKGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
PubChem CID	3453336
ChEMBL	CHEMBL604277
IUPHAR	N/A
BindingDB	50305737
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<60000.0 nM	PMID20004096	BindingDB,ChEMBL

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